AB initio gradient optimized molecular geometry and conformational analysis of 1,2-propanediol at the 4-21G level

  1. Vázquez, S.
  2. Mosquera, R.A.
  3. Rios, M.A.
  4. Van Alsenoy, C.
Journal of Molecular Structure: THEOCHEM

ISSN: 0166-1280

Year of publication: 1989

Volume: 184

Issue: 3-4

Pages: 323-342

Type: Article

DOI: 10.1016/0166-1280(89)85101-2 GOOGLE SCHOLAR